CID 119979

4-benzoyloxybenzoic acid

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H10O4/c15-13(16)10-6-8-12(9-7-10)18-14(17)11-4-2-1-3-5-11/h1-9H,(H,15,16)
InChIKey
OUANAAHOQVMJCH-UHFFFAOYSA-N
Compound name
4-benzoyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

152
Patents

242.0579 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 152.0
[M+Na]+ 265.04712 165.4
[M+NH4]+ 260.09172 159.3
[M+K]+ 281.02106 159.7
[M-H]- 241.05062 154.8
[M+Na-2H]- 263.03257 160.3
[M]+ 242.05735 154.6
[M]- 242.05845 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe